CID 3062248

80458-19-1

Structural Information

Molecular Formula
C16H19ClN2O
SMILES
COC1=CC2=C(C(=CN=C2C=C1)Cl)CC3CCNCC3
InChI
InChI=1S/C16H19ClN2O/c1-20-12-2-3-16-14(9-12)13(15(17)10-19-16)8-11-4-6-18-7-5-11/h2-3,9-11,18H,4-8H2,1H3
InChIKey
HBQVSPKNMJKKSJ-UHFFFAOYSA-N
Compound name
3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

290.1186 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12588 167.3
[M+Na]+ 313.10782 174.4
[M-H]- 289.11132 169.7
[M+NH4]+ 308.15242 181.2
[M+K]+ 329.08176 167.5
[M+H-H2O]+ 273.11586 158.4
[M+HCOO]- 335.11680 177.7
[M+CH3COO]- 349.13245 176.8
[M+Na-2H]- 311.09327 171.2
[M]+ 290.11805 165.2
[M]- 290.11915 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe